2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

C11H12F3N5O — CID 106774638

IUPAC2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1nn(C)c(C)c1Oc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-5-9(6(2)19(3)18-5)20-8-4-7(15)16-10(17-8)11(12,13)14/h4H,1-3H3,(H2,15,16,17)
InChIKeyOUBPZRWLYFILJY-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.22
Rot. Bonds2

About 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine

2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 106774638) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID106774638
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1nn(C)c(C)c1Oc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O/c1-5-9(6(2)19(3)18-5)20-8-4-7(15)16-10(17-8)11(12,13)14/h4H,1-3H3,(H2,15,16,17)
InChIKeyOUBPZRWLYFILJY-UHFFFAOYSA-N
XLogP2.22
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine (CID 106774638) is 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is Cc1nn(C)c(C)c1Oc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is OUBPZRWLYFILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-5-9(6(2)19(3)18-5)20-8-4-7(15)16-10(17-8)11(12,13)14/h4H,1-3H3,(H2,15,16,17).
What are the key properties of 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine?
2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 287.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 106774638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).